N-[(Z)-[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C21H18N3O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H18N3O2ClS |
| Smiles | O=C(c1ccncc1)N/N=C\c1cccc(OCCSc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C21H18ClN3O2S/c22-18-4-6-20(7-5-18)28-13-12-27-19-3-1-2-16(14-19)15-24-25-21(26)17-8-10-23-11-9-17/h1-11,14-15H,12-13H2,(H,25,26) |
| InChIK | LMMJCWLBVXISIU-UHFFFAOYSA-N |
| TotalMolweight | 411.912 |
| Molweight | 411.912 |
| MonoisotopicMass | 411.080824 |
| CLogP | 4.7996 |
| CLogS | -5.692 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.94 |
| Relative PSA | 0.23571 |
| PolarSurfaceArea | 88.88 |
| Druglikeness | 4.3867 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[3-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off